Daaccal
TL;DR: Daaccal (CAS 103614-06-8) is a chemical compound with molecular formula C51H81N19O10S2 and molecular weight 1183.59 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-N-[(2S)-1-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanylidenepropanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]amino]-4-methylpentanamide
Also Known As: Daaccal, 2-Cys-5-cys-7-mearg-8-leu-dynorphin A (1-9)-NH2, Dynorphin A amide (1-9), cys(2)-cys(5)-mearg(7)-leu(8)-, H-MeTyr-Gly-Gly-Phe-Leu-Arg-MeArg-D-Leu-NHEt, Tyr-D-Cys-Gly-Phe-Cys-Arg-MeArg-D-Leu-Arg-NH2
| Molecular Formula | C51H81N19O10S2 |
|---|---|
| Molecular Weight | 1183.59 g/mol |
| LogP | -5.1031 |
| Topological Polar Surface Area | 501.35 Ų |
| Hydrogen Bond Donors | 18 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 37 |
| Exact Mass | 1183.5856 |
| Heavy Atoms | 82 |
| Complexity | 2529.879 |
Chemical Identifiers
| CAS Number | 103614-06-8 |
|---|---|
| SMILES | CC(C)C[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)[C@@H](C=S)NC(=O)[C@H](CC2=CC=C(C=C2)O)N)NC(=O)[C@H](CCCN=C(N)N)NC |
Product Overview
Daaccal (CAS 103614-06-8), with molecular formula C51H81N19O10S2 and molecular weight 1183.59 g/mol. IUPAC: (2R)-N-[(2S)-1-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanylidenepropanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]amino]-4-methylpentanamide.
Chemical Property Profile of Daaccal
Property Insights of Daaccal
The XLogP value of -5.1031 indicates that Daaccal is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 501.35 Ų indicates high polarity, suggesting Daaccal may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Daaccal has 18 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Daaccal?
The CAS number of Daaccal is 103614-06-8.
What is the molecular formula of Daaccal?
The molecular formula of Daaccal is C51H81N19O10S2.
What is the molecular weight of Daaccal?
The molecular weight of Daaccal is 1183.59 g/mol.
Where can I buy Daaccal?
You can request a quote for Daaccal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Daaccal?
Yes, KEHONG BIO provides custom synthesis services for Daaccal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.